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ENAMINE-ZINC02663430

 MMsINC code: MMs01283746
Type: Neutral
Formula: C15H10F2N4O2
SMILES:   Fc1cc(F)ccc1NC(=O)Nc1oc(nn1)-c1ccccc1
InChI:   InChI=1/C15H10F2N4O2/c16-10-6-7-12(11(17)8-10)18-14(22)19-15-21-20-13(23-15)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.267 g/mol  logS: -6.41078  SlogP: 3.6588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00719019  Sterimol/B1: 2.57192  Sterimol/B2: 2.74123  Sterimol/B3: 3.95108
  Sterimol/B4: 3.99254  Sterimol/L: 18.7579 
 
 Surface and Volume Properties
  Accessible surface: 534.588  Positive charged surface: 265.387  Negative charged surface: 269.202  Volume: 264.375
  Hydrophobic surface: 395.551  Hydrophilic surface: 139.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.